Bicarbonate Ion → {3-[6-(3-chloro-benzylamino)-pyridin-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-(2-morpholin-4-yl-ethyl)-amine

HRID 2159737Notes

Reaction equation

HRID 2159737 reaction equation
[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[cH:8][cH:9][cH:10][c:11](-[c:13]3[n:14][n:15]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[c:16]4[n:17][c:18]([NH:22][CH2:23][CH2:24][N:25]5[CH2:26][CH2:27][O:28][CH2:29][CH2:30]5)[n:19][cH:20][c:21]34)[n:12]2)[cH:39][cH:40][cH:41]1.[Cl:54][CH2:55][Cl:56].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48].[Na+:53].[O-:49][C:50]([OH:51])=[O:52]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[cH:8][cH:9][cH:10][c:11](-[c:13]3[n:14][nH:15][c:16]4[n:17][c:18]([NH:22][CH2:23][CH2:24][N:25]5[CH2:26][CH2:27][O:28][CH2:29][CH2:30]5)[n:19][cH:20][c:21]34)[n:12]2)[cH:39][cH:40][cH:41]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 68108833HCID 68108833, compound

Product 1

HCID 178478111{3-[6-(3-chloro-benzylamino)-pyridin-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-(2-morpholin-4-yl-ethyl)-amine

Sources & evidence

ORD record
ord-e038a5bfd2a84828a5cdd13fc3bee728
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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